2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

C12H25IN4 — CID 119117526

IUPAC2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCN1CCCC1
InChIInChI=1S/C12H24N4.HI/c13-12(15-10-11-4-3-5-11)14-6-9-16-7-1-2-8-16;/h11H,1-10H2,(H3,13,14,15);1H
InChIKeyDIMUJZCVZPCYCQ-UHFFFAOYSA-N
MW352.26 g/mol
LogP1.40
Rot. Bonds5

About 2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 119117526) has the molecular formula C12H25IN4 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
PubChem CID119117526
Molecular FormulaC12H25IN4
Molecular Weight352.26 g/mol
Exact Mass352.11
IUPAC Name2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCN1CCCC1
InChIInChI=1S/C12H24N4.HI/c13-12(15-10-11-4-3-5-11)14-6-9-16-7-1-2-8-16;/h11H,1-10H2,(H3,13,14,15);1H
InChIKeyDIMUJZCVZPCYCQ-UHFFFAOYSA-N
XLogP1.40
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 120580676
2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine
CID 10589924
2-(cyclobutylmethyl)-1-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111091675
2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077544
1-[2-(azepan-1-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111057037
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111082428
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054677
2-(cyclobutylmethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
CID 119118254
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (CID 119117526) is 2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is I.N/C(=N\CC1CCC1)NCCN1CCCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is DIMUJZCVZPCYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4.HI/c13-12(15-10-11-4-3-5-11)14-6-9-16-7-1-2-8-16;/h11H,1-10H2,(H3,13,14,15);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 352.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 119117526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).